On the cause for the no spin-gap behavior of the triangular spin tube system CsCrF4

The spin exchange interactions of the triangular spin tube system CsCrF₄ were evaluated by performing mapping analysis on the basis of density functional theory calculations. Our results show that the exchange J₁ for the triangular ring and the exchange J₂ along the chain are both antiferromagnetic with the ratio J₁/J₂≈0.5, so the spin gap of CsCrF₄ is too small to be experimentally detected. This finding is consistent with the experimental observation and theoretical analysis. The possible ways of preparing a triangular spin tube with observable spin gap was discussed.     

Cooperative order and excitation spectra in the bicomponent spin networks

A ferrimagnetic spin model composed of S = 1/2 spin-dimers and S = 5/2 spin-chains is studied by combining the bond-operator representation (for S = 1/2 spin-dimers) and Holstein-Primakoff transformation (for S = 5/2 spins). A finite interaction J _DF between the spin-dimer and the spin chain makes the spin chains ordered antiferromagnetically and the spin dimers polarized. The effective interaction between the spin chains, mediated by the spin dimers, is calculated up to the third order. The staggered magnetization in the spin dimer is shown proportional to J _DF. Due to the triplon-magnon interaction, the degeneracy of the triplons is lifted and the hybridized triplon-like excitations show different behaviors near the vanishing J _DF. A mode with longitudinal polarization is identified. The hybridized magnon-like excitations are also studied. These results are compared with the experiments on Cu₂Fe₂Ge₄O₁₃.     

Exact results of an alternating-bond mixed spin-1/2 and spin-1 Ising chain with both longitudinal and transverse single-ion anisotropies

The alternating-bond mixed spin-1/2 and spin-1 Ising chain with both longitudinal and transverse single-ion anisotropies are solved exactly by means of a mapping of the spin-1/2 transverse Ising chain and the Jordan-Wigner transformation. The ground state quantities are strongly dependent on the model Hamiltonian parameters J₁, J₂, D_x and D_z. We obtain the quasi-particles' spectra Λ_k, the dimerization gap Δ_d, the minimal energy Δ₀ for exciting a fermion quasi-particle, the minimal energy gap Δ_h for exciting a hole and the ground state energy E_g. The phase diagram of the ground state is also given. The results show that the alternating bond just quantitatively changes the ground state properties; no matter the nearest-neighbor exchange interactions J₁ and J₂ are equal or not, when D_z≥0 for any finite value of D_x, there is no quantum critical point and the ground state is always in a spin ordered phase.     

Phase transitions in the 2D J 1-J 2 Heisenberg model with arbitrary signs of exchange interactions

The ground state of the J ₁-J ₂ Heisenberg model with arbitrary signs of exchange is studied for spin S = 1/2 in the case of the two-dimensional (2D) square lattice. The states with different types of spin long-range order (antiferromagnetic checkerboard, stripe, collinear ferromagnetic) as well as the disordered spin liquid states are described in the framework of one analytical approach. In particular, it is shown that the phase transition between the ferromagnetic spin liquid and the ferromagnet with long-range order is of the second order. In the vicinity of such transition, we have found the ferromagnetic state with a rapidly varying condensate function.     

Density-matrix renormalization group study of the spin-Peierls instability in the antiferromagnetic Heisenberg ladder

The columnar dimerized antiferromagnetic S?=?1/2 spin ladder is numerically studied by the density-matrix renormalization-group (DMRG) method. The elastic lattice with spin-phonon coupling ?? and lattice elastic force k is introduced into the system. Thus the S?=?1?/?2 Heisenberg spin chain is unstable towards dimerization (the spin-Peierls transition). However, the dimerization should be suppressed if the rung coupling J _?? is sufficiently large, and a Columnar dimer to Rung singlet phase transition takes place. After a self-consistent calculation of the dimerization, we determine the quantum phase diagram by numerically computing the singlet-triplet gap, the dimerization amplitude, the order parameters, the rung spin correlation and quantum entropies. Our results show that the phase boundary between the Columnar dimer phase and Rung singlet phase is approximately of the form J _?? ~ \hbox{$(\frac{k}{\alpha^{2}})^{-\frac{5}{4}}$} ( k ?? 2 ) ? 5 4.     

Magnetic phase diagram of the dimerized spin S = 1/2 ladder

The ground-state magnetic phase diagram of a spin S=1/2 two-leg ladder with alternating rung exchange J_⊥(n)=J_⊥[1 + (-1)ⁿ δ] is studied using the analytical and numerical approaches. In the limit where the rung exchange is dominant, we have mapped the model onto the effective quantum sine-Gordon model with topological term and identified two quantum phase transitions at magnetization equal to the half of saturation value from a gapped to the gapless regime. These quantum transitions belong to the universality class of the commensurate-incommensurate phase transition. We have also shown that the magnetization curve of the system exhibits a plateau at magnetization equal to the half of the saturation value. We also present a detailed numerical analysis of the low energy excitation spectrum and the ground state magnetic phase diagram of the ladder with rung-exchange alternation using Lanczos method of numerical diagonalizations for ladders with number of sites up to N = 28. We have calculated numerically the magnetic field dependence of the low-energy excitation spectrum, magnetization and the on-rung spin-spin correlation function. We have also calculated the width of the magnetization plateau and show that it scales as δ^ν, where critical exponent varies from ν = 0.87±0.01 in the case of a ladder with isotropic antiferromagnetic legs to ν = 1.82±0.01 in the case of ladder with ferromagnetic legs. Obtained numerical results are in an complete agreement with estimations made within the continuum-limit approach.     

NMR study on the quasi one-dimensional quantum spin magnet with ladder structure

The two-legged spin ladder Cu(CO₃)_0.5(ClO₄)(H₂O)_0.5(NH₃)_2.5 consists of a rung formed by two Cu(II)’s and of a spacing molecule CO\(_{3}^{2-}\) between each two rungs. The non-centrosymmetric shape of CO\(_{3}^{2-}\) molecule brings a slight bond alternation along the leg, and hence the system can be considered as an alternating spin chain, which is confirmed so far by the temperature dependence of magnetic susceptibility. In order to investigate its spin state at low temperatures, we have performed experiments of ¹H-NMR, magnetization and specific heat under wide range of magnetic field, and have found the critical diverging of longitudinal relaxation rate 1/T ₁, the spectral broadening and the lambda-type anomaly in specific heat at T _N? 3.4 K, indicating the existence of long range magnetic order. In paramagnetic state well above T _N, 1/T ₁ showed a power-law temperature dependence, suggesting the realization of Tomonaga Luttinger liquid state.     

Quantum Monte Carlo Investigation of the magnetic properties of weakly interacting antiferromagnetic chains with an alternating exchange interaction with spin S = 1/2

An approximation dependence of the spontaneous magnetic moment at a site, σ/σ(0) ? 1 = and the antiferromagnet-singlet state phase boundary, J ₂/J ₁ = 0.52(3)δ, are determined by the quantum Monte Carlo method in the self-consistent sublattice molecular field approximation for weakly inter-acting (J ₂) antiferromagnetic chains with spin S = 1/2 and alternating exchange interaction (J ₁ ± δ). The Néél temperature and a number of critical temperatures which could be related with the filling energy of two singlets (ΔS ^z = 0) and one triplet (ΔS ^z = 1) spin bands, each of which is split by the sublattice field (h ^{x, y} ≠ h ^z into two subbands, are determined on the basis of the computed correlation radii of the two-and four-spin correlation function, the squared total spin 〈 (S ^z)²〉 with respect to the longitudinal components, the dimerization parameter, and the correlation functions between the nearest neighbors with respect to longitudinal and transverse spin components. On the basis of the Monte Carlo calculations, the critical temperatures and possible energy gaps at the band center are determined for the antiferromagnets CuWO₄ and Bi₂CuO₄ and for the singlet compounds (VO)₂P₂O₇ and CuGeO₃, agreeing satisfactorily with existing results, and new effects are also predicted.     

Chiral spin liquid in a two-dimensional helical XY magnet with two chiral order parameters

The critical properties of an XY helimagnet on a square lattice with two chiral order parameters are studied by Monte Carlo simulations. This model is a modification of the J ₁-J ₂-J ₃ model with J ₂ = 0. The case of different third range order interactions J ₃ are considered, J ₃ ^a ?? J ₃ ^b . A first order transition is found away from the Lifshitz points 4J ₃ ^a = J ₁ and 4 J ₃ ^b = J ₁. It is pointed out that a chiral spin liquid phase possibly exists near the Lifshitz points.     

Effect of single-ion uniaxial anisotropy on the phase diagrams of magnetic system in the presence of internal spin fluctuation

Basing on the two-spin-per-site Heisenberg model, the effect of single-ion uniaxial anisotropy on the phase diagrams of magnetic system in the presence of internal spin fluctuation has been investigated by use of the mean field theory. It was found that single-ion uniaxial anisotropy has important effect on the phase digrams. In the ferromagnetic case (J₃>0) the positive single-ion uniaxial anisotropies (D) suppress the internal spin fluctuation and raise the phase trasition temperature, and negative single-ion uniaxial anisotropies (D) increase the internal spin fluctuation and reduce the phase trasition temperature. In the antiferromagnetic case (J₃<0), there exist two critical values J_c1 and J_c2 (|J_c2|<|J_c1|) in the positive D values. In the |J₃|<|J_c2| range intra-spin exchange coupling prevails inter-spin exchange coupling, the positive D values suppress the internal spin fluctuation and raise the phase transition temperature. In the |J₃|>|J_c1| range the two sub-spins behave as a rigid spin and the positive D values make the reduction of the phase transition temperature. We also observe that the larger D values make the range of internal spin fluctuation to move towards the larger |J₃| range.     

Quantum HeisenbergS=1/2 spin glass with ferromagnetic coupling and random Dzyaloshinskii-Moriya interactions

By means of the generalized static replica symmetric spin glass theory, a quantum HeisenbergS=1/2 spin glass model with the infinite-ranged random Dzyaloshinskii-Moriya (DM) interaction and ferromagnetic coupling is investigated. The dependence of entropy, specific heat, susceptibility and the corresponding order parameters on temperature is studied numerically for different ferromagnetic interactions and fixed anisotropy. Two spin glass phases has been found including transverse and mixed spin glass phases. It has been shown that the local susceptibility exhibits double-cusp features for different ferromagnetic coupling (J ₀). Phase transition poins are found in the specific heat-temperature plane at various ferromagnetic coupling values. Additionally, the dependence of the spontaneous moment on temperature is calculated.     

Investigation of the magnetic properties of chains with alternating ferro-and antiferromagnetic exchange interactions in the Heisenberg model with spin S=1/2

The quantum Monte Carlo method is used to calculate the susceptibility and pairwise spin-spin correlation functions of chains with alternating ferro (K)-and antiferromagnetic (J)-exchange interactions within the Heisenberg model with spin S=1/2. From the susceptibility, the energy gap between the ground state and excited triplet states is determined or arbitrary ratios K/J. The value of the gap coincides with the Haldane gap for spin S=1 when K/J>1.25. Fiz. Tverd. Tela (St. Petersburg) 41, 1650–1651 (September 1999)     

Spin correlation in the quasi-1D spin glass FeMgBO4

In FeMgBO₄ Fe³⁺ ions form isolated zig-zag chains cut off by Mg²⁺ impurities. The magnetic diffuse neutron scattering measured at different temperatures can be described by 1D spin correlations within the chain segments. Isotropic first and second neighbour interactions lead to a short-range helical spin arrangement which is perturbed at each diamagnetic impurity. Spin pair correlations increase with decreasing temperature down to 15 K where they reach saturation values reflecting a spin glass state.     

Quantum state transfer via a two-qubit Heisenberg XXZ spin model

Transfer of quantum states through a two-qubit Heisenberg XXZ spin model with a nonuniform magnetic field b is investigated by means of quantum theory. The influences of b, the spin exchange coupling J and the effective transfer time T=Jt on the fidelity have been studied for some different initial states. Results show that fidelity of the transferred state is determined not only by J, T and b but also by the initial state of this quantum system. Ideal information transfer can be realized for some kinds of initial states. We also found that the interactions of the z-component Jz and uniform magnetic field B do not have any contribution to the fidelity. These results may be useful for quantum information processing.     

Jordan-Wigner approach to the frustrated spin one-half XXZ chain

The Jordan-Wigner transformation is applied to study the ground state properties and dimerization transition in the J₁-J₂ XXZ chain. We consider different solutions of the mean-field approximation for the transformed Hamiltonian. Ground state energy and the static structure factor are compared with complementary exact diagonalization and good agreement is found near the limit of the Majumdar-Ghosh model. Furthermore, the ground state phase diagram is discussed within the mean-field theory. In particular, we show that an incommensurate ground state is absent for large J₂ in a fully self-consistent mean-field analysis.     

Analytic evidence of the equivalence of the alternating Heisenberg spin chain to the mixed spin (1, 1/2) Heisenberg chain

We investigated the properties of the spin-1/2 ferromagnetic-antiferromagnetic-antiferromagnetic alternating Heisenberg chain using the spin-wave theory. The spin-wave excitation spectra, the sublattice magnetizations and the local bond energies of the model are calculated to be compared with the corresponding properties of the mixed spin (1, 1/2) chain for a range of α. The results demonstrate that all the properties show similar behaviours in the small α limit, so the properties of the mixed spin (1, 1/2) chain can be described using the spin-1/2 ferromagnetic-antiferromagnetic-antiferromagnetic alternating Heisenberg chain.     

Order-order transitions in spin systems with double electron exchange

Spin systems in the presence of isotropic single and double electron exchange are investigated at nonzero temperature. We use a generalized mean field approximation that allows for a variable local axis of quantization. This leads to the introduction of an angular parameter Θ giving the angle between nearest neighbor quantization axes. It is shown that order-order transitions can occur between phases of partially aligned spins (general Θ) and pure ferro- (Θ = 0) or antiferromagnetic (Θ = π) spin structures for physically reasonable values of the exchange ratio J₂/J₁ of double to single exchange when J₂ > 0. The order-order critical temperature τ₀ is determined as a function of J₂/J₁ for the particular cases of atomic spin $\text{s = 1,}\text{3}\text{2}\text{, 2,}\text{5}\text{2}$, and the corresponding phase diagrams are presented. Biquadratic and three-atom double electron exchange effects are considered separately. Expressions for the paramagnetic transition temperature and for the spontaneous magnetization M_s for general atomic spin s are given, and the discontinuous change in M_s at τ₀ is also found as a function of J₂/J₁.     

Temperature dependence of the electronic spin relaxation of DCNQI salts

For the elucidation of the charge and spin dynamics of the radical anion salts of DCNQI with metallic counterions we have performed cw- and pulsed ESR experiments (βB _pp,T _1e ^?1 andT _2e ^?1 ) between 300 and 4 K at nine salts differing in counterions and sidegroups, respectively. We can explain the relaxation rates by dipolar electron-electron interaction and spin-orbit contribution. In the high temperature range we have a gradual decrease in the number of charge carriers by interband transitions without a slowing down of the mobility. With complete localization of the electron spins (no mobile electrons anymore) exchange interaction governs the spectral density, becoming strongly temperature dependent due to effective spin exchangeJ _eff(T), explained by an extended REHAC-model. This effective spin exchangeJ _eff(T) includes for the first time a contribution by the metallic counterions. For spin-orbit interaction we developed a model based on F. Adrian [1] not depending on the mixture of Bloch and spin states as given by Elliott [2]. This is achieved by the inclusion of the electronic probability on atoms with higher atomic numbers, modulated by phonons. This model explains the drastic changes in the ESR linewidth of different radical ion salts of DCNQI and allows inductively the prediction of the electronic properties of new radical ion systems of which just the molecular and crystal structure is known.     

Two-dimensional Heisenberg model with spin s=1/2 and antiferromagnetic exchange treated as a spin liquid

The spin system of the Heisenberg model (s=1/2) on a square lattice with antiferromagnetic (AFM) exchange between nearest neighbors (in which there is no long-range magnetic order at any T≠0) is treated as a spatially homogeneous isotropic spin liquid. The double-time temperature Green’s function method is used in the framework of a second-step decoupling scheme. It is shown that, as T → 0, the spin liquid goes over (without any change in symmetry) to a singlet state with energy (per bond) ?₀=?0.352 and the correlation length diverges as ξ ∝ T ^?1 exp(T ₀/T). The spatial spin correlators oscillate in sign with distance, as in the AFM state. The theory allows one to calculate the main characteristics of the system in all temperature ranges.     

Magnetic ground state and spin waves in A(A = K, Rb or Cs)Fe1.5Se2

We present theoretical results on the ground state phase diagram, spin waves and dynamic structure factor on the J₁-J₂ model. In the reasonable physical parameter region corresponding to AFe_1.5Se₂, the A-collinear antiferromagnetic phase is stable. The spin wave spectra have two acoustic branches and four optical branches for this phase on the rhombus-ordered vacancy lattice, and each of them is twofold degenerate. However, they have one nondegenerate acoustic branch and two nondegenerate optical branches on the square-ordered vacancy lattice. To offer the theoretical guidance for the further experiments, we also discuss the magnetic excitation spectra and the inelastic neutron scattering pattern based on linear spin wave theory.